2-[5-methylsulfanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]phenol

Systemtic Name: 2-[5-methylsulfanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]phenol Openeye Name: 2-[2-(3-isopropylsulfonylpiperazin-1-yl)-5-methylsulfanyl-phenyl]phenol CAS Name: 2-[5-(methylthio)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]phenol IUPAC Name: 2-[5-methylsulfanyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]phenol Traditional Name: 2-[2-(3-isopropylsulfonylpiperazino)-5-(methylthio)phenyl]phenol Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)SC)C3=CC=CC=C3O

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)SC)C3=CC=CC=C3O

InChI

InChI=1S/C20H26N2O3S2/c1-14(2)27(24,25)20-13-22(11-10-21-20)18-9-8-15(26-3)12-17(18)16-6-4-5-7-19(16)23/h4-9,12,14,20-21,23H,10-11,13H2,1-3H3